Information card for entry 7216527

Structure parameters

• Formula: C21 H20 F N2 O3
• Calculated formula: C21 H20 F N2 O3
• Title of publication: Pharmaceutical co-crystals ‒ are we there yet?
• Authors of publication: Blagden, N.; Coles, S. J.; Berry, D. J.
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 26
• Pages of publication: 5753
• a: 27.4599 ± 0.0012 Å
• b: 5.6654 ± 0.0002 Å
• c: 11.4275 ± 0.0005 Å
• α: 90°
• β: 92.25 ± 0.002°
• γ: 90°
• Cell volume: 1776.42 ± 0.13 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1033
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1448
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No